3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol

C15H17N3O2 — CID 14810892

IUPAC3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(C3CN4CCC3CC4)n2)c1
InChIInChI=1S/C15H17N3O2/c19-12-3-1-2-11(8-12)14-16-15(20-17-14)13-9-18-6-4-10(13)5-7-18/h1-3,8,10,13,19H,4-7,9H2
InChIKeyVBPRZVPNKNRXFP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds2

About 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 14810892) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID14810892
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(C3CN4CCC3CC4)n2)c1
InChIInChI=1S/C15H17N3O2/c19-12-3-1-2-11(8-12)14-16-15(20-17-14)13-9-18-6-4-10(13)5-7-18/h1-3,8,10,13,19H,4-7,9H2
InChIKeyVBPRZVPNKNRXFP-UHFFFAOYSA-N
XLogP2.25
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 14810892) is 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(C3CN4CCC3CC4)n2)c1.
What is the InChIKey of 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is VBPRZVPNKNRXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-12-3-1-2-11(8-12)14-16-15(20-17-14)13-9-18-6-4-10(13)5-7-18/h1-3,8,10,13,19H,4-7,9H2.
What are the key properties of 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 14810892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).